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Abstract The free fatty acid receptor 1 (FFAR1) is a class A G-protein coupled receptor and a validated target to develop antidiabetic drugs. The present work describes the quantitative structure–activity… Click to show full abstract
Abstract The free fatty acid receptor 1 (FFAR1) is a class A G-protein coupled receptor and a validated target to develop antidiabetic drugs. The present work describes the quantitative structure–activity relationship (QSAR) study of a series of 4-alkynyldihydrocinnamic acid analogs to rationalize their FFAR1 agonist activity. The various physicochemical and structural descriptors were derived from Molecular Operating Environment ( MOE, 2011 ). The variable selection and model development were carried out using Combinatorial Protocol in Multiple Linear Regressions (CP-MLR) approach. The identified QSAR models highlighted the significance of solvent accessible surface area and associated hydrophobicity to the biological activity. The chemical features to improve hydrophobicity of 4-alkynyldihydrocinnamic acid analogs have been discussed.
Journal Title: Arabian Journal of Chemistry
Year Published: 2019
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